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chemoinformatics
This blog is about chemoinformatics and its application to design of novel drugs. We review recent articles and discuss current state-of-the-art approaches in the field.
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Maxim Shevelev
in
chemoinformatics
Jul 3, 2021
Quick Hacks #4: Extracting the .sdf field values into a file.
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Maxim Shevelev
in
chemoinformatics
Mar 12, 2021
Quick Hacks #3
Quick Hacks #3: Counting the number of SMILES strings in a
.smi
file.
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Maxim Shevelev
in
chemoinformatics
Mar 11, 2021
Quick Hacks #2
Today we discuss how to combine several .sdf files in a single file.
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Maxim Shevelev
in
chemoinformatics
Feb 22, 2021
Quick Hacks #1 — Counting structures in SDF or MOL2 files
In the first post of the Quick Hacks…
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